4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol

C12H27NO — CID 104627986

IUPAC4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
SMILESCCC(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyWTEHZNBHPLPVDT-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds6

About 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol

4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol (PubChem CID 104627986) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
PubChem CID104627986
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol
SMILESCCC(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyWTEHZNBHPLPVDT-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349684
3-(2-ethylhexylamino)-4,4-dimethylpentan-1-ol
CID 114176879
3-(2,2-dimethylpropylamino)-4,4-dimethylpentan-1-ol
CID 106348997
3-(3-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349560
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
3-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106349643
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
4,4-dimethyl-3-(2-propan-2-ylsulfonylethylamino)pentan-1-ol
CID 113434724
3-methyl-4-(3-methylpentan-2-ylamino)butan-1-ol
CID 66089447
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
3-[(1-butan-2-ylpyrazol-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349604

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol (CID 104627986) is 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol is CCC(C)CNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol?
The InChIKey is WTEHZNBHPLPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(2)9-13-11(7-8-14)12(3,4)5/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol?
4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylbutylamino)pentan-1-ol is sourced from PubChem (CID 104627986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).